N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide

C22H25N3O4S — CID 69047909

IUPACN-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cncc(-c2cccs2)c1)C(=O)N1CCC2OCC(=O)C21
InChIInChI=1S/C22H25N3O4S/c1-13(2)8-16(22(28)25-6-5-18-20(25)17(26)12-29-18)24-21(27)15-9-14(10-23-11-15)19-4-3-7-30-19/h3-4,7,9-11,13,16,18,20H,5-6,8,12H2,1-2H3,(H,24,27)/t16-,18?,20?/m0/s1
InChIKeyQYCDSTAATJIGKF-VQSBYGRUSA-N
MW427.53 g/mol
LogP2.52
Rot. Bonds6

About N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide

N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 69047909) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
PubChem CID69047909
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cncc(-c2cccs2)c1)C(=O)N1CCC2OCC(=O)C21
InChIInChI=1S/C22H25N3O4S/c1-13(2)8-16(22(28)25-6-5-18-20(25)17(26)12-29-18)24-21(27)15-9-14(10-23-11-15)19-4-3-7-30-19/h3-4,7,9-11,13,16,18,20H,5-6,8,12H2,1-2H3,(H,24,27)/t16-,18?,20?/m0/s1
InChIKeyQYCDSTAATJIGKF-VQSBYGRUSA-N
XLogP2.52
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
CID 69049062
N-[3-(4-bromophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
CID 69049739
N-[3-(3-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
CID 69049002
N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)propan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide
CID 69051670
N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-4-pyridin-3-ylthiophene-2-carboxamide
CID 91054975
N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-6-phenylpyridine-3-carboxamide
CID 69050177
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
CID 163431387
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-3-bromobenzamide
CID 142154198
4-methoxy-N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]benzamide
CID 69373523
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-bromobenzamide;methane;sulfane
CID 159738345
N-[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-4-(thiadiazol-4-yl)benzamide
CID 69051055
4-tert-butyl-N-[1-[2-fluoro-3-oxo-5-(5-thiophen-2-ylpyridine-3-carbonyl)-1,5-diazocan-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 142850972

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide (CID 69047909) is N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide is CC(C)C[C@H](NC(=O)c1cncc(-c2cccs2)c1)C(=O)N1CCC2OCC(=O)C21.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is QYCDSTAATJIGKF-VQSBYGRUSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-13(2)8-16(22(28)25-6-5-18-20(25)17(26)12-29-18)24-21(27)15-9-14(10-23-11-15)19-4-3-7-30-19/h3-4,7,9-11,13,16,18,20H,5-6,8,12H2,1-2H3,(H,24,27)/t16-,18?,20?/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide?
N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-5-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 69047909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).